4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride

C13H18ClNO2 — CID 91654476

IUPAC4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCc1cccc(C2(C(=O)O)CCNCC2)c1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-10-3-2-4-11(9-10)13(12(15)16)5-7-14-8-6-13;/h2-4,9,14H,5-8H2,1H3,(H,15,16);1H
InChIKeyQKRIVVPSSSIUFK-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.12
Rot. Bonds2

About 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride

4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 91654476) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID91654476
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCc1cccc(C2(C(=O)O)CCNCC2)c1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-10-3-2-4-11(9-10)13(12(15)16)5-7-14-8-6-13;/h2-4,9,14H,5-8H2,1H3,(H,15,16);1H
InChIKeyQKRIVVPSSSIUFK-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride (CID 91654476) is 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride is Cc1cccc(C2(C(=O)O)CCNCC2)c1.Cl.
What is the InChIKey of 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is QKRIVVPSSSIUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-10-3-2-4-11(9-10)13(12(15)16)5-7-14-8-6-13;/h2-4,9,14H,5-8H2,1H3,(H,15,16);1H.
What are the key properties of 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride?
4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 91654476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).